Molecule card · MolClass #51568
14736621
14736621: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14736621Mitochondrial Fusion · compound_name
- MolClass ID
- 51568
- InChIKey
- ARTJMAQUNHBVCS-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccccc1N2CCN(CC2)C(=O)Nc3ccc(c(c3)Cl)Cl
- Standard InChI
- InChI=1S/C19H21Cl2N3O2/c1-2-26-18-6-4-3-5-17(18)23-9-11-24(12-10-23)19(25)22-14-7-8-15(20)16(21)13-14/h3-8,13H,2,9-12H2,1H3,(H,22,25)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCN(c3ccccc3)CC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.571
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14736621